ピロリジン-1-イルブタン酸塩酸塩

4-(Pyrrolidin-1-yl)butanoic acid hydrochloride

HCID 14855682

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 49637-21-0
標準SMILES: Cl.O=C(O)CCCN1CCCC1
InChIKey: ZEWPJQOFVHRHKN-UHFFFAOYSA-N
分子式: C8H16ClNO2
平均分子量: 193.67 g/mol
単同位体質量: 193.08695643

名称と識別子

優先名称: 4-(Pyrrolidin-1-yl)butanoic acid hydrochloride
IUPAC: 4-pyrrolidin-1-ylbutanoic acid;hydrochloride
現地名: ピロリジン-1-イルブタン酸塩酸塩
英語名: 4-PYRROLIDIN-1-YL-BUTYRIC ACID HYDROCHLORIDE
分子式: C8H16ClNO2
分子量: 193.67

名称と別名

4-(pyrrolidin-1-yl)butanoic acid hydrochlorideRefChem:516877837-769-449637-21-04-Pyrrolidin-1-yl-butyric acid hydrochloride4-pyrrolidin-1-ylbutanoic acid;hydrochlorideMFCD068012754-(1-Pyrrolidinyl)butanoic acid hydrochloride1-Pyrrolidinebutyric Acid HydrochlorideCHEMBL32343531-Pyrrolidinebutanoic acid, hydrochlorideSCHEMBL946654

名称をさらに表示

ピロリジン-1-イルブタン酸塩酸塩PYRROLIDIN-1-YLBUTANOIC ACID HYDROCHLORIDE

1-Pyrrolidinebutyric Acid HClDTXSID90564742Pyrrolidin-1-ylbutanoic acid HClTQP0305ZEWPJQOFVHRHKN-UHFFFAOYSA-NAKOS0169043144-(Pyrrolidin-1-yl)butanoic Acid HClBS-38166

データベース識別子

CAS: 49637-21-0
PubChem CID: 14855682
DTXSID: DTXSID90564742
ChEMBL: CHEMBL3234353
EC Number: 837-769-4

物性

構造計算による物性

極性表面積: 40.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 12
形式電荷: 0
複雑度: 130

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

risk_code: 41
hazard_code: Xi
safety_code: 26-39
hazard_class: IRRITANT

化学と産業

応用分野

使用1-Pyrrolidinebutyric Acid Hydrochloride is used in biological studies in the preparation of betaine analogs of mildronate as inhibitors of γ-butyrobetaine hydroxylase, and crystal structures of BBOX-inhibitor complexes.